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Structure

Alpha-D-cellobiose octaacetate

CAS
5346-90-7
Catalog Number
ACM5346907
Category
Other Products
Molecular Weight
678.59
Molecular Formula
C28H38O19

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Specification

Synonyms
1,2,3,6-Tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-alpha-D-glucopyranose
IUPAC Name
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Canonical SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChI Key
WOTQVEKSRLZRSX-HYSGBLIFSA-N
Boiling Point
612.2 °C
Melting Point
225-232 °C
Density
1.37 g/ml
Appearance
White solid
Refractive Index
40 ° (C=6, CHCl3)
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